2-N-[4-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]phenyl]-7-N-[4-[7-[9,9-bis(3-hexylphenyl)-7-methylfluoren-2-yl]-9-hexa-1,3,5-triynyl-9-methylfluoren-2-yl]phenyl]-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine

C143H138N2 — CID 173464840

IUPAC2-N-[4-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]phenyl]-7-N-[4-[7-[9,9-bis(3-hexylphenyl)-7-methylfluoren-2-yl]-9-hexa-1,3,5-triynyl-9-methylfluoren-2-yl]phenyl]-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine
SMILESC#CC#CC#CC1(C)c2cc(-c3ccc(N(c4ccc(C)cc4)c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(N(c6ccc(C)cc6)c6ccc(-c7ccc8c(c7)C(c7ccc9c(c7)CC9)(c7ccc9c(c7)CC9)c7cc(C)ccc7-8)cc6)ccc4-5)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(c3cccc(CCCCCC)c3)(c3cccc(CCCCCC)c3)c3cc(C)ccc3-4)cc21
InChIInChI=1S/C143H138N2/c1-11-16-21-26-28-33-84-141(85-34-29-27-22-17-12-2)134-96-122(73-81-126(134)127-82-74-123(97-135(127)141)145(119-67-45-99(7)46-68-119)121-71-57-107(58-72-121)111-60-79-130-129-76-48-101(9)87-137(129)143(138(130)94-111,116-63-53-104-49-51-108(104)90-116)117-64-54-105-50-52-109(105)91-117)144(118-65-43-98(6)44-66-118)120-69-55-106(56-70-120)110-59-77-124-125-78-61-112(93-133(125)140(10,132(124)92-110)83-32-25-20-15-5)113-62-80-131-128-75-47-100(8)86-136(128)142(139(131)95-113,114-41-35-39-102(88-114)37-30-23-18-13-3)115-42-36-40-103(89-115)38-31-24-19-14-4/h5,35-36,39-48,53-82,86-97H,11-14,16-19,21-24,26-31,33-34,37-38,49-52,84-85H2,1-4,6-10H3
InChIKeyIGZOJWSCXPZMKR-UHFFFAOYSA-N
MW1884.69 g/mol
LogP37.72
Rot. Bonds37

About 2-N-[4-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]phenyl]-7-N-[4-[7-[9,9-bis(3-hexylphenyl)-7-methylfluoren-2-yl]-9-hexa-1,3,5-triynyl-9-methylfluoren-2-yl]phenyl]-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine

2-N-[4-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]phenyl]-7-N-[4-[7-[9,9-bis(3-hexylphenyl)-7-methylfluoren-2-yl]-9-hexa-1,3,5-triynyl-9-methylfluoren-2-yl]phenyl]-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine (PubChem CID 173464840) has the molecular formula C143H138N2 and a molecular weight of 1884.69 g/mol. Its IUPAC name is 2-N-[4-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]phenyl]-7-N-[4-[7-[9,9-bis(3-hexylphenyl)-7-methylfluoren-2-yl]-9-hexa-1,3,5-triynyl-9-methylfluoren-2-yl]phenyl]-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine.

Molecular Properties

Compound Name2-N-[4-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]phenyl]-7-N-[4-[7-[9,9-bis(3-hexylphenyl)-7-methylfluoren-2-yl]-9-hexa-1,3,5-triynyl-9-methylfluoren-2-yl]phenyl]-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine
PubChem CID173464840
Molecular FormulaC143H138N2
Molecular Weight1884.69 g/mol
Exact Mass1883.09
IUPAC Name2-N-[4-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]phenyl]-7-N-[4-[7-[9,9-bis(3-hexylphenyl)-7-methylfluoren-2-yl]-9-hexa-1,3,5-triynyl-9-methylfluoren-2-yl]phenyl]-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine
SMILESC#CC#CC#CC1(C)c2cc(-c3ccc(N(c4ccc(C)cc4)c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(N(c6ccc(C)cc6)c6ccc(-c7ccc8c(c7)C(c7ccc9c(c7)CC9)(c7ccc9c(c7)CC9)c7cc(C)ccc7-8)cc6)ccc4-5)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(c3cccc(CCCCCC)c3)(c3cccc(CCCCCC)c3)c3cc(C)ccc3-4)cc21
InChIInChI=1S/C143H138N2/c1-11-16-21-26-28-33-84-141(85-34-29-27-22-17-12-2)134-96-122(73-81-126(134)127-82-74-123(97-135(127)141)145(119-67-45-99(7)46-68-119)121-71-57-107(58-72-121)111-60-79-130-129-76-48-101(9)87-137(129)143(138(130)94-111,116-63-53-104-49-51-108(104)90-116)117-64-54-105-50-52-109(105)91-117)144(118-65-43-98(6)44-66-118)120-69-55-106(56-70-120)110-59-77-124-125-78-61-112(93-133(125)140(10,132(124)92-110)83-32-25-20-15-5)113-62-80-131-128-75-47-100(8)86-136(128)142(139(131)95-113,114-41-35-39-102(88-114)37-30-23-18-13-3)115-42-36-40-103(89-115)38-31-24-19-14-4/h5,35-36,39-48,53-82,86-97H,11-14,16-19,21-24,26-31,33-34,37-38,49-52,84-85H2,1-4,6-10H3
InChIKeyIGZOJWSCXPZMKR-UHFFFAOYSA-N
XLogP37.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds37
Heavy Atoms145
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001884.69
LogP ≤ 537.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-N-[4-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]phenyl]-7-N-[4-[7-[9,9-bis(3-hexylphenyl)-7-methylfluoren-2-yl]-9-hexa-1,3,5-triynyl-9-methylfluoren-2-yl]phenyl]-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine with MolForge

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Related Compounds

9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dimethylfluorene;9,9-bis(3,5-dihexylphenyl)-2,7-dimethylfluorene;2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine
CID 159912719
2-[9,9-bis(4-hexylphenyl)-7-methylfluoren-2-yl]-9,9-bis(3-hexylphenyl)-7-(7-methyl-9,9-dioctylfluoren-2-yl)fluorene
CID 140591814
N-[4-[7-[9,9-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-7-[4-[4-(4-hexylphenyl)-6-(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-9,9-bis(3-hexylphenyl)fluoren-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-4-methylaniline
CID 58281924
9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;9,9-bis(4-hexylphenyl)-2,7-dimethylfluorene;2,7-dimethyl-9,9-dioctylfluorene
CID 158736272
N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-6,6,12,12-tetrahexyl-8-methyl-N-phenylindeno[1,2-b]fluoren-2-amine
CID 71009487
CID 159774241
CID 159774241
5,12-bis(4-butylphenyl)-7,7,14,14-tetrakis(4-hexylphenyl)-2,9-dimethylquinolino[2,3-b]acridine;9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;N,N-bis(4-methylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
CID 159079305
2,8-dimethyl-12,12-dioctyl-6,6-bis(4-octylphenyl)indeno[1,2-b]fluorene;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 91342827
1-N,4-N-bis(4-butylphenyl)-1-N-[4-(2',3',6',7,7'-pentamethyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-4-N-[4-[2,3,6,7-tetramethyl-7'-(9-methyl-11,11,12,12-tetraoctylindeno[2,1-a]fluoren-2-yl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]benzene-1,4-diamine
CID 58668861
2-N-[4-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-butan-2-ylfluoren-2-yl]phenyl]-7-N-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)phenyl]-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 126630030
7-N-[4-[7-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-phenylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 126630042
9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;2-[9,9-bis(3,5-dihexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene
CID 158886972

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]phenyl]-7-N-[4-[7-[9,9-bis(3-hexylphenyl)-7-methylfluoren-2-yl]-9-hexa-1,3,5-triynyl-9-methylfluoren-2-yl]phenyl]-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine?
The IUPAC name of 2-N-[4-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]phenyl]-7-N-[4-[7-[9,9-bis(3-hexylphenyl)-7-methylfluoren-2-yl]-9-hexa-1,3,5-triynyl-9-methylfluoren-2-yl]phenyl]-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine (CID 173464840) is 2-N-[4-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]phenyl]-7-N-[4-[7-[9,9-bis(3-hexylphenyl)-7-methylfluoren-2-yl]-9-hexa-1,3,5-triynyl-9-methylfluoren-2-yl]phenyl]-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine.
What is the SMILES notation for 2-N-[4-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]phenyl]-7-N-[4-[7-[9,9-bis(3-hexylphenyl)-7-methylfluoren-2-yl]-9-hexa-1,3,5-triynyl-9-methylfluoren-2-yl]phenyl]-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine?
The canonical SMILES for 2-N-[4-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]phenyl]-7-N-[4-[7-[9,9-bis(3-hexylphenyl)-7-methylfluoren-2-yl]-9-hexa-1,3,5-triynyl-9-methylfluoren-2-yl]phenyl]-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine is C#CC#CC#CC1(C)c2cc(-c3ccc(N(c4ccc(C)cc4)c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(N(c6ccc(C)cc6)c6ccc(-c7ccc8c(c7)C(c7ccc9c(c7)CC9)(c7ccc9c(c7)CC9)c7cc(C)ccc7-8)cc6)ccc4-5)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(c3cccc(CCCCCC)c3)(c3cccc(CCCCCC)c3)c3cc(C)ccc3-4)cc21.
What is the InChIKey of 2-N-[4-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]phenyl]-7-N-[4-[7-[9,9-bis(3-hexylphenyl)-7-methylfluoren-2-yl]-9-hexa-1,3,5-triynyl-9-methylfluoren-2-yl]phenyl]-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine?
The InChIKey is IGZOJWSCXPZMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C143H138N2/c1-11-16-21-26-28-33-84-141(85-34-29-27-22-17-12-2)134-96-122(73-81-126(134)127-82-74-123(97-135(127)141)145(119-67-45-99(7)46-68-119)121-71-57-107(58-72-121)111-60-79-130-129-76-48-101(9)87-137(129)143(138(130)94-111,116-63-53-104-49-51-108(104)90-116)117-64-54-105-50-52-109(105)91-117)144(118-65-43-98(6)44-66-118)120-69-55-106(56-70-120)110-59-77-124-125-78-61-112(93-133(125)140(10,132(124)92-110)83-32-25-20-15-5)113-62-80-131-128-75-47-100(8)86-136(128)142(139(131)95-113,114-41-35-39-102(88-114)37-30-23-18-13-3)115-42-36-40-103(89-115)38-31-24-19-14-4/h5,35-36,39-48,53-82,86-97H,11-14,16-19,21-24,26-31,33-34,37-38,49-52,84-85H2,1-4,6-10H3.
What are the key properties of 2-N-[4-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]phenyl]-7-N-[4-[7-[9,9-bis(3-hexylphenyl)-7-methylfluoren-2-yl]-9-hexa-1,3,5-triynyl-9-methylfluoren-2-yl]phenyl]-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine?
2-N-[4-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]phenyl]-7-N-[4-[7-[9,9-bis(3-hexylphenyl)-7-methylfluoren-2-yl]-9-hexa-1,3,5-triynyl-9-methylfluoren-2-yl]phenyl]-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine has a molecular weight of 1884.69 g/mol, XLogP of 37.72, 37 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]phenyl]-7-N-[4-[7-[9,9-bis(3-hexylphenyl)-7-methylfluoren-2-yl]-9-hexa-1,3,5-triynyl-9-methylfluoren-2-yl]phenyl]-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine is sourced from PubChem (CID 173464840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).